2QZC

Crystal structure of a putative tena-like thiaminase (tena-1, sso2206) from sulfolobus solfataricus p2 at 1.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-16
Detector	ADSC QUANTUM 4
Wavelength(s)	0.918381, 0.979310, 0.978921
Spacegroup name	P 43 21 2
Unit cell lengths	88.862, 88.862, 135.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.152 - 1.500
R-factor	0.166
Rwork	0.165
R-free	0.18400
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.152	38.152	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.057	0.025	0.688
Total number of observations		9552	29805
Number of reflections	87321
<I/σ(I)>	8.7	23.2	0.9
Completeness [%]	99.8	98.3	98.1
Redundancy	7.7	8.5	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	NANODROP, 2.4M (NH4)2SO4, 0.1M HEPES pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K